thiobis(ethylamine)-N,N,N',N'-tetraacetic acid | 923-74-0

• 分子结构分类: 有机化合物 - 有机酸及其衍生物 - 羧酸及其衍生物
• 英文名称: thiobis(ethylamine)-N,N,N',N'-tetraacetic acid
• 英文别名: thiobis(ethylenenitrilo)tetraacetic acid；(3-thia-pentanediyldiimino)-tetra-acetic acid；Bis-[2-(bis-carboxymethyl-amino)-aethyl]-sulfid；(3-Thia-pentandiyldiimino)-tetra-essigsaeure；N,N'-(thiodi-2,1-ethandiyl)bis[N-(carboxymethyl)glycine]；β.β'-Diaminodiethylthioether-N.N.N'.N'-tetraessigsaeure；Thio-bis(ethylene nitrilo)tetraacetic acid；2-[2-[2-[bis(carboxymethyl)amino]ethylsulfanyl]ethyl-(carboxymethyl)amino]acetic acid
• CAS: 923-74-0
• 化学式: C₁₂H₂₀N₂O₈S
• 分子量: 352.365
• InChiKey: BOUNYCSDIFNPHL-UHFFFAOYSA-N

物化性质

• 沸点：
  671.1±55.0 °C(Predicted)
• 密度：
  1.508±0.06 g/cm3(Predicted)

计算性质

• 辛醇/水分配系数(LogP)：
  -5.2
• 重原子数：
  23
• 可旋转键数：
  14
• 环数：
  0.0
• sp3杂化的碳原子比例：
  0.67
• 拓扑面积：
  181
• 氢给体数：
  4
• 氢受体数：
  11

反应信息

• 作为反应物：
  描述：

  thiobis(ethylamine)-N,N,N',N'-tetraacetic acid 、 copper hydroxide 以 水 为溶剂， 以94%的产率得到dicopper thiobis(ethylenenitrilo)tetraacetate pentahydrate
  参考文献：
  名称：

  Berg, Jeremy M.; Hodgson, Keith O., Inorganic Chemistry, 1986, vol. 25, # 11, p. 1800 - 1803

  摘要：

  DOI：
• 作为产物：
  描述：

  氨乙基硫醚 、 氯乙酸 在 sodium hydroxide 作用下， 生成 thiobis(ethylamine)-N,N,N',N'-tetraacetic acid
  参考文献：
  名称：

  GB695346

  摘要：

  公开号：

文献信息

• Grid coatings for capture of proteins and other compounds
  申请人：Purdue Research Foundation

  公开号：US10989681B2

  公开（公告）日：2021-04-27

  Grids comprising a coating modified with one or more capture agents and a deactivating agent are disclosed. Methods of using such grids in connection with suitable microscopy techniques, such as for determining the structure of target compounds including proteins, are also disclosed.

  揭示了包括涂层经过改性的一种或多种捕获剂和一种失活剂的网格。还公开了使用这种网格结合适当的显微镜技术的方法，例如用于确定目标化合物（包括蛋白质）的结构。
• Pharmaceutical compositions comprising metal complexes
  申请人：——

  公开号：US20020049190A1

  公开（公告）日：2002-04-25

  A compound of the formula [M a (X b L) c Y d Z e ] nt± Formula I wherein: M is a metal ion or a mixture of metal ions; X is a cation or a mixture of cations; L is a ligand, or mixture of ligands each containing at least two different donor atoms selected from the elements of Group IV, Group V or Group VI of the Periodic Table; Y is a ligand or a mixture of the same or different ligands each containing at least one donor atom or more than one donor atom selected from the elements of Group IV, Group V or Group VI of the Periodic Table; and Z is a halide or pseudohalide ion or a mixture of halide ions and pseudohalide ions; and wherein: a=1-3; b=0-12; c=0-18; d=0-18; e=0-18; and n=0-10; provided that at least one of c, d and e is 1 or more; wherein c is 0: b is also 0; wherein a is 1: c, d and e are not greater than 9; and wherein a is 2: c, d and e are not greater than 12.

  该化合物的化学式为[Ma(XbL)cYdZe]nt±Formula I其中：M是金属离子或金属离子的混合物；X是阳离子或阳离子的混合物；L是配体，或者是至少含有周期表IV、V或VI族元素中至少两种不同供体原子的配体混合物；Y是配体或者是至少含有周期表IV、V或VI族元素中至少一个供体原子或多个供体原子的相同或不同配体的混合物；Z是卤素或伪卤素离子或卤素离子和伪卤素离子的混合物；并且其中：a=1-3；b=0-12；c=0-18；d=0-18；e=0-18；n=0-10；前提是c、d和e中至少有一个大于等于1；其中c为0时：b也为0；其中a为1时：c、d和e均不大于9；其中a为2时：c、d和e均不大于12。
• Complexes of rhodium with thiobis(ethylenenitrilo)tetraacetic acid; a potential bifunctional chelate for use in radiotherapy
  作者：Nigel A. Powell、Angela M. Hill、William Levason、Michael Webster

  DOI：10.1039/dt9960000467

  日期：——

  Reaction of rhodium trichloride with the potential bifunctional chelating agent thiobis(ethylenenitrilo)tetraacetic acid (H4tedta) gave the complex [Rh(H3tedta)Cl2]·H2O. Both chloride ligands are readily lost on refluxing in water, to give [Rh(Htedta)]·3H2O which has been characterised by an X-ray study. Further reaction with dilute HX (X = Cl, Br or I) led to the monohalides [Rh(H2tedta)X]·nH2O shown by 13C-1H} NMR spectroscopy to have halide trans to sulfur. In contrast, thiocyanate is shown to bind trans to nitrogen. The complexes represent the first isolated mononuclear compounds of this thioether-containing analogue of ethylenediaminetetraacetate.

  三氯化铑与潜在的双功能螯合剂硫代双（乙烯腈）四乙酸（H4tedta）反应，生成[Rh（H3tedta）Cl2]·H2O络合物。在水中回流时，两种氯化配体很容易失去，生成[Rh（Htedta）]·3 ，X射线研究已证实了这一点。与稀HX（X = Cl、Br或I）进一步反应，生成单卤化物[Rh（H2tedta）X]·n ，13C-1H} NMR光谱显示卤化物与硫发生反式作用。相反，硫氰酸盐与氮发生反式作用。这些络合物是乙二胺四乙酸这种含硫醚类似物的首次分离单核化合物。
• Polyrotaxanes and uses thereof
  申请人：Purdue Research Foundation

  公开号：US10118996B2

  公开（公告）日：2018-11-06

  A polyrotaxane containing an affinity binding group has been designed and prepared. The polyrotaxane of the invention can be used for characterization and determination of the three-dimensional structures of biological molecules, such as proteins.

  本发明设计并制备了一种含有亲和结合基团的聚罗他赛。本发明的聚二十六烷可用于表征和确定蛋白质等生物分子的三维结构。
• Use of nitric oxide scavengers to modulate inflammation and matrix metalloproteinase activity
  申请人：——

  公开号：US20020193363A1

  公开（公告）日：2002-12-19

  The present invention relates to modulating inflammation, or improving hemodynamic function, associated with trauma, such as that caused by surgery, through the administration of metal complexes, such as ruthenium nitric oxide scavengers. Further, the present invention relates to modulating matrix metalloproteinase activity also by administering such metal complexes. Modulation of the trauma or the metalloproteinase activity reduces tissue damage or causes a protective effect against organ damage.

  本发明涉及通过施用金属复合物（如一氧化氮钌清除剂）来调节与创伤（如手术造成的创伤）相关的炎症或改善血液动力学功能。此外，本发明还涉及通过施用此类金属复合物来调节基质金属蛋白酶的活性。对创伤或金属蛋白酶活性的调节可减少组织损伤或对器官损伤产生保护作用。